============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 2 1.000 21.475 28.439 0.468 -99.200 -91.000 TYR 4 0.840 18.451 20.819 -0.069 -99.200 -91.000 TYR 5 0.840 20.942 28.656 6.960 -99.200 -91.000 TYR 17 0.840 19.592 12.310 22.102 -99.200 -91.000 PHE 31 1.000 14.706 10.555 24.071 -99.200 -91.000 TRP 44 1.040 18.870 11.261 18.442 -99.200 -91.000 TRP6 44 1.020 18.348 13.550 18.688 -99.200 -91.000 TYR 53 0.840 18.603 13.724 10.836 -99.200 -91.000 TYR 63 0.840 1.027 17.772 12.711 -99.200 -91.000 TYR 64 0.840 5.140 15.476 13.638 -99.200 -91.000 PHE 66 1.000 5.834 17.283 2.137 -99.200 -91.000 TYR 69 0.840 13.126 19.706 16.557 -99.200 -91.000 PHE 79 1.000 6.191 10.325 8.750 -99.200 -91.000 TYR 81 0.840 -1.966 4.903 11.735 -99.200 -91.000 TYR 95 0.840 6.405 5.385 7.206 -99.200 -91.000 HIS 97 0.900 9.932 13.899 2.631 -99.200 -91.000 PHE 103 1.000 15.028 7.415 7.629 -99.200 -91.000 PHE 113 1.000 27.362 3.879 3.462 -99.200 -91.000 PHE 114 1.000 23.660 -4.484 3.633 -99.200 -91.000 HIS 116 0.900 28.964 2.869 6.674 -99.200 -91.000 TYR 120 0.840 24.914 3.413 18.234 -99.200 -91.000 TYR 121 0.840 13.848 2.602 17.887 -99.200 -91.000 PHE 125 1.000 8.499 5.472 28.133 -99.200 -91.000 TYR 128 0.840 15.028 -1.170 22.285 -99.200 -91.000 PHE 133 1.000 16.286 -8.335 8.840 -99.200 -91.000 TYR 136 0.840 12.981 -4.659 0.525 -99.200 -91.000 TYR 140 0.840 2.009 1.152 -3.212 -99.200 -91.000 TYR 141 0.840 -0.338 -3.309 4.507 -99.200 -91.000 PHE 146 1.000 3.778 -8.936 11.119 -99.200 -91.000 TYR 152 0.840 7.565 -10.984 13.295 -99.200 -91.000 PHE 155 1.000 7.163 -8.172 7.553 -99.200 -91.000 TYR 165 0.840 24.376 -5.293 -1.579 -99.200 -91.000 TYR 184 0.840 6.702 13.266 -2.630 -99.200 -91.000 HIS 192 0.900 12.390 -4.539 6.085 -99.200 -91.000